Information card for entry 7228253

Structure parameters

• Formula: C58 H72 Cl4 N6 O4 Zn2
• Calculated formula: C58 H72 Cl4 N6 O4 Zn2
• Title of publication: What a difference a tail makes: 2D→2D parallel interpenetration of sheets to interpenetrated nbo networks using ditopic-4,2':6',4''-terpyridine ligands
• Authors of publication: Housecroft, Catherine E.; Constable, Edwin C.; Klein, Maximilian; Neuburger, Markus; Prescimone, Alessandro
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 20.777 ± 0.002 Å
• b: 11.6382 ± 0.0009 Å
• c: 23.8738 ± 0.0017 Å
• α: 90°
• β: 90.074 ± 0.007°
• γ: 90°
• Cell volume: 5772.8 ± 0.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections: 0.1726
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7625
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No